⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27886463 | 0.80 | CFTR (0.41) | — | |
| SCHEMBL28264541 | 0.78 | DPP4 (0.40) | — | |
| SCHEMBL28012736 | 0.78 | — | — | |
| SCHEMBL27780326 | 0.78 | CYP19A1 (0.32) | — | |
| Methane SCHEMBL28260973 | 0.76 | — | — | |
| SCHEMBL28128989 | 0.75 | CYP19A1 (0.31) | — | |
| SCHEMBL28125085 | 0.74 | — | — | |
| SCHEMBL27695855 | 0.74 | — | — | |
| SCHEMBL25941873 | 0.73 | SCN4A (0.55) | — | |
| SCHEMBL28109249 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103827088-B | It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors | 奇斯药制品公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-103827088-A | Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors | CHIESI FARMA SPA | 2014-05-28 | — | — | CN | disclosed |